136 skills found · Page 1 of 5
tilde-lab / Awesome Materials InformaticsCurated list of known efforts in materials informatics, i.e. in modern materials science
MaterSim / PyXtalA code to generate atomic structure with symmetry
mtex-toolbox / MtexMTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:
project-gemmi / Gemmimacromolecular crystallography library and utilities
cctbx / Cctbx ProjectComputational Crystallography Toolbox
AvtechScientific / ASLAdvanced Simulation Library - hardware accelerated multiphysics simulation platform.
seto77 / ReciProThe software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.
xiaohang007 / SLICESSLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
hackingmaterials / RobocrystallographerAutomatic generation of crystal structure descriptions.
dials / DialsDiffraction Integration for Advanced Light Sources
pyxem / OrixAnalysing crystal orientations and symmetry in Python
AdvancedPhotonSource / GSAS IIHome for GSAS-II: crystallographic and diffraction-based structural characterization of materials
oekosheri / GB CodeA grain boundary generation code
spglib / MoyoLibrary for Crystal Symmetry in Rust
andrewrgarcia / PowerxrdA Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.
douweschulte / PdbtbxA library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
wojdyr / DebyerDebye's scattering equation & other analysis of atomistic models.
heprom / PymicroA Python package to work with material microstructures and 3d data sets
spglib / SpgrepOn-the-fly generator of space-group irreducible representations
LaurentRDC / CrystalsData structures, algorithms, and parsing for crystallography
